pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69999980926514	QSARToolbox	-1	-2	CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)[O-],CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)O	CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	mol34228	CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O